ethane;2-methyl-4-piperazin-1-ylpyrimidine

C11H20N4 — CID 144746590

IUPACethane;2-methyl-4-piperazin-1-ylpyrimidine
SMILESCC.Cc1nccc(N2CCNCC2)n1
InChIInChI=1S/C9H14N4.C2H6/c1-8-11-3-2-9(12-8)13-6-4-10-5-7-13;1-2/h2-3,10H,4-7H2,1H3;1-2H3
InChIKeyDAIPBBFLCCABKS-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.22
Rot. Bonds1

About ethane;2-methyl-4-piperazin-1-ylpyrimidine

ethane;2-methyl-4-piperazin-1-ylpyrimidine (PubChem CID 144746590) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is ethane;2-methyl-4-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-4-piperazin-1-ylpyrimidine
PubChem CID144746590
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Nameethane;2-methyl-4-piperazin-1-ylpyrimidine
SMILESCC.Cc1nccc(N2CCNCC2)n1
InChIInChI=1S/C9H14N4.C2H6/c1-8-11-3-2-9(12-8)13-6-4-10-5-7-13;1-2/h2-3,10H,4-7H2,1H3;1-2H3
InChIKeyDAIPBBFLCCABKS-UHFFFAOYSA-N
XLogP1.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
2,2-difluoro-6-(2-methylpyrimidin-4-yl)-6-azaspiro[2.5]octane
CID 172890892
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-piperazin-1-ylpyrimidine?
The IUPAC name of ethane;2-methyl-4-piperazin-1-ylpyrimidine (CID 144746590) is ethane;2-methyl-4-piperazin-1-ylpyrimidine.
What is the SMILES notation for ethane;2-methyl-4-piperazin-1-ylpyrimidine?
The canonical SMILES for ethane;2-methyl-4-piperazin-1-ylpyrimidine is CC.Cc1nccc(N2CCNCC2)n1.
What is the InChIKey of ethane;2-methyl-4-piperazin-1-ylpyrimidine?
The InChIKey is DAIPBBFLCCABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.C2H6/c1-8-11-3-2-9(12-8)13-6-4-10-5-7-13;1-2/h2-3,10H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4-piperazin-1-ylpyrimidine?
ethane;2-methyl-4-piperazin-1-ylpyrimidine has a molecular weight of 208.31 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-piperazin-1-ylpyrimidine is sourced from PubChem (CID 144746590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).